SCHEMBL3921262

SCHEMBL3921262

CC(=O)NCCOc1cc(=O)oc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.62
▸ KCNA3 P22001 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ PTGS2 P35354 1/20 0.55
▸ MTNR1A P48039 3/20 0.53
▸ MTNR1B P49286 3/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ALOX15 P16050 2/20 0.52
▸ MAOB P27338 1/20 0.52
▸ CYP19A1 P11511 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3909724 0.84 KCNA3 (0.64) KCNA3PTGS2CA12CA1CA9
SCHEMBL3918098 0.84 KCNA3 (0.57) KCNA3PTGS2CA12CA1CA9
Hydrochloric Acid SCHEMBL3912271 0.83 KCNA3 (0.63) KCNA3PTGS2CA12CA1CA9
SCHEMBL3912880 0.83 KCNA3 (0.67) KCNA3PTGS2CA12CA1CA9
SCHEMBL3921302 0.81 KCNA3 (0.57) KCNA3PTGS2CA12CA1CA9
SCHEMBL3922173 0.81 GFER (0.49) LMNAKCNA3KDM4EALDH1A1HPGD
SCHEMBL29054813 0.81 KCNA3 (0.64) KCNA3PTGS2CA12CA1CA9
SCHEMBL3918141 0.80 KCNA3 (0.60) KCNA3PTGS2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL3911178 0.80 KCNA3 (0.59) KCNA3PTGS2CA12CA1CA9
SCHEMBL8871233 0.80 ALOX15 (0.60) KCNA3ALDH1A1HPGDPTGS2CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP claimed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO claimed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US claimed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 — — US disclosed
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 — — EP disclosed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 — — WO disclosed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 LMNA 2539/4885KCNA3 3807/4885KDM4E 3645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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